Crystallography Open Database

Information card for entry 4334812

Preview

Coordinates	4334812.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C135 H198 Cl2.5 Mn18 N28.5 O59 Sr
Calculated formula	C130.02 H138 Cl2.46 Mn18 N28.56 O54.02 Sr
Title of publication	Magnetic Interactions Mediated by Diamagnetic Cations in [Mn18M] (M= Sr2+, Y3+, Cd2+, and Lu3+) Coordination Clusters
Authors of publication	Ayuk M. Ako; Boris Burger; Yanhua Lan; Valeriu Mereacre; Rodolphe Clérac; Gernot Buth; Silvia Gómez-Coca; Eliseo Ruiz; Christopher E. Anson; Annie K. Powell
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5764 - 5774
a	20.815 ± 0.0016 Å
b	20.815 ± 0.0016 Å
c	35.285 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	13240 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1146
Residual factor for significantly intense reflections	0.0739
Weighted residual factors for significantly intense reflections	0.2001
Weighted residual factors for all reflections included in the refinement	0.2221
Goodness-of-fit parameter for all reflections included in the refinement	0.977
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179451 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/48.	4334812.cif
100696	2014-02-07	cif/ Adding structures of 4334812 via cif-deposit CGI script.	4334812.cif